Nα,Nω-Dicarbobenzoxy-L-arginine - ≥98%(T) , CAS No.53934-75-1

CAS: 53934-75-1 Cat. No.: N159608 Peso molecular: 442.47 PubChem CID: 44630235

GRADE & PURITY ≥98%(T)

Synonyms

(S)-5-(3-(benzyloxycarbonyl)guanidino)-2-(benzyloxycarbonylamino)pentanoic acid | Nalpha,nomega-dicarbobenzoyl-L-arginine | SCHEMBL2031362 | (S)-2-(((Benzyloxy)carbonyl)amino)-5-(3-((benzyloxy)carbonyl)guanidino)pentanoic acid | alpha,omega-Di-Z-Arg-OH |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(S)-5-(3-(benzyloxycarbonyl)guanidino)-2-(benzyloxycarbonylamino)pentanoic acid | Nalpha, nomega-dicarbobenzoyl-L-arginine | SCHEMBL2031362 | (S)-2-(((Benzyloxy)carbonyl)amino)-5-(3-((benzyloxy)carbonyl)guanidino)pentanoic acid | alpha, omega-Di-Z-Arg-OH |

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)NC(=O)OCC2=CC=CC=C2)C(=O)O
• IUPAC Name: (2S)-5-[[amino(phenylmethoxycarbonylamino)methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid
• InChIKey: YWMQITGDXCEQSI-SFHVURJKSA-N
• INCHI: 1S/C22H26N4O6/c23-20(26-22(30)32-15-17-10-5-2-6-11-17)24-13-7-12-18(19(27)28)25-21(29)31-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,25,29)(H,27,28)(H3,23,24,26,30)/t18-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(N)NC(=O)OCC2=CC=CC=C2)C(=O)O
• PubChem CID: 44630235
• Peso molecular: 442.47
• Reaxy-Rn: 3185307

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Carbamate esters Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Carbamic acid ester - Guanidine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 442.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 442.185 Da
• Monoisotopic Mass: 442.185 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 630.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1